Structure Database (LMSD)
Common Name
Methyl-(5E,7E,9E,14Z,17Z) eicosapentaenoate
Systematic Name
Methyl-(5E,7E,9E,14Z,17Z)-eicosa-5,7,9,14,17-pentaenoate
Synonyms
- (5E,7E,9E,14Z,17Z)-eicosapentanoic acid methyl ester
3D model of Methyl-(5E,7E,9E,14Z,17Z) eicosapentaenoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KYCHHUXOABPSFL-RCHARPKBSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,12-17H,3,6,9-11,18-20H2,1-2H3/b5-4-,8-7-,13-12+,15-14+,17-16+
SMILES (Click to copy)
C(CCC/C=C/C=C/C=C/CCC/C=C\C/C=C\CC)(=O)OC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
373.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.08
Molar Refractivity
100.33
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Created at
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Updated at
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